ATOM 31
1 C1z C 45.2353 -23.6114
2 C1z C 44.0488 -24.2803
3 C1x C 46.4105 -24.2979
4 O7a O 46.4105 -22.9134
5 C5a C 45.2238 -22.2386
6 C1y C 44.0428 -25.6475
7 C1x C 42.8795 -23.5939
8 C1a C 44.0314 -22.9134
9 C1x C 46.4048 -25.5891
10 C7a C 47.5971 -23.5939
11 C1a C 44.0255 -21.5463
12 O5a O 46.4048 -21.5405
13 C1y C 42.8562 -26.3280
14 C1x C 41.6170 -24.2630
15 C1a C 48.7780 -22.9075
16 O6a O 47.5913 -24.9667
17 C1y C 41.6754 -25.6299
18 C2x C 42.8562 -27.6951
19 C1z C 40.4885 -26.3164
20 C2y C 41.6637 -28.3816
21 C2y C 40.4828 -27.6835
22 C1x C 39.3079 -25.6242
23 C1a C 40.4771 -24.9435
24 C2x C 39.3079 -28.3756
25 C1x C 38.1153 -26.3164
26 C1y C 38.1153 -27.6835
27 X Cl 41.6551 -29.7953
28 O7a O 36.9093 -28.3781
29 C7a C 35.7329 -27.6972
30 C1a C 34.5369 -28.3861
31 O6a O 35.7344 -26.3006
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 7 14 1
14 10 15 1
15 10 16 2
16 13 17 1
17 13 18 1
18 17 19 1
19 18 20 2
20 19 21 1
21 19 22 1
22 19 23 1 #Up
23 21 24 2
24 22 25 1
25 24 26 1
26 6 9 1
27 14 17 1
28 20 21 1
29 25 26 1
30 20 27 1
31 26 28 1 #Up
32 28 29 1
33 29 30 1
34 29 31 2
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